Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 1/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22409641 | 1.00 | CYP2A6 (0.67) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL19881124 | 0.81 | CYP2A6 (0.56) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27487477 | 0.81 | CYP2A6 (0.71) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL40953 | 0.80 | CYP2A6 (1.00) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL30076672 | 0.80 | CYP2A6 (1.00) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL29308721 | 0.77 | PTGS1 (0.52) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL17742294 | 0.77 | CYP2A6 (0.60) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3080071 | 0.77 | CYP2A6 (0.60) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4820940 | 0.77 | CYP2A6 (0.60) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7974567 | 0.77 | CYP2A6 (0.92) | CYP2A6ALDH1A1MAPTMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2021-11-02 | — | — | US | disclosed |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2020-09-17 | — | — | US | disclosed |
| EP-1178993-A1 | THIAZOLODERIATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Knoll GmbH (DE) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071549-A1 | THIAZOLODERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KNOLL GMBH (DE) | 2000-11-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | PDK1, PDHA1, PDHA2 | CYP2A6 918/4885ALDH1A1 7/4885MAPT 4235/4885 |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | PDK1, PDHA1, PDHA2 | CYP2A6 918/4885ALDH1A1 7/4885MAPT 4235/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.